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PDB: 567 results

1Y3Y
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TRYPSIN INHIBITOR COMPLEX
Descriptor: (1R,3AS,4R,8AS,8BR)-4-(2-BENZO[1,3]DIOXOL-5-YL-1-CYCLOPROPYL-3-OXO-DECAHYDRO-PYRROLO[3,4-A]PYRROLIZIN-4-YL)-BENZAMIDINE, CALCIUM ION, Trypsin, ...
Authors:Fokkens, J, Klebe, G.
Deposit date:2004-11-26
Release date:2005-12-06
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:A simple protocol to estimate differences in protein binding affinity for enantiomers without prior resolution of racemates.
Angew.Chem.Int.Ed.Engl., 45, 2006
3A85
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Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 15 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A80
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BU of 3a80 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid (soaking 40seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)-2-methylpropanoic acid, CALCIUM ION, Cationic trypsin
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A7X
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Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 45seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A86
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BU of 3a86 by Molmil
Crystal Structure of Trypsin complexed with (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid (soaking 30 seconds)
Descriptor: (E)-2-(4-carbamimidoylbenzylideneaminooxy)acetic acid, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A8B
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BU of 3a8b by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((4-bromophenylimino)methyl)benzimidamide
Descriptor: (E)-4-((4-bromophenylimino)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3AAS
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BU of 3aas by Molmil
Bovine beta-trypsin bound to meta-guanidino schiff base copper (II) chelate
Descriptor: (E)-N-[(5-carbamimidamido-2-hydroxyphenyl)methylidene]-L-alanine, CALCIUM ION, COPPER (II) ION, ...
Authors:Iyaguchi, D, Kawano, S, Toyota, E.
Deposit date:2009-11-26
Release date:2010-04-07
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structural basis for the design of novel Schiff base metal chelate inhibitors of trypsin
Bioorg.Med.Chem., 18, 2010
2ZFT
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BU of 2zft by Molmil
Exploring trypsin S3 pocket
Descriptor: (S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentylamino)ethanoyl)pyrrolidine-2-carboxamide, CALCIUM ION, Cationic trypsin, ...
Authors:Brandt, T, Baum, B, Heine, A, Klebe, G.
Deposit date:2008-01-11
Release date:2009-01-13
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Congeneric but still distinct: how closely related trypsin ligands exhibit different thermodynamic and structural properties
J.Mol.Biol., 405, 2011
7WA0
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BU of 7wa0 by Molmil
Crystal structure of Bovine Pancreatic Trypsin in complex with Benzamidine at Room Temperature
Descriptor: BENZAMIDINE, CALCIUM ION, Cationic trypsin, ...
Authors:Sakai, N, Okumura, H, Yamamoto, M, Kumasaka, T.
Deposit date:2021-12-11
Release date:2022-06-15
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:In situ crystal data-collection and ligand-screening system at SPring-8.
Acta Crystallogr.,Sect.F, 78, 2022
1O2H
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-INDOL-2-YL}-6-(CYCLOPENTYLOXY)BENZENOLATE, BETA-TRYPSIN, CALCIUM ION
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, W.F, Hui, H, Breitenbucher, G, Allen, D, Janc, J.
Deposit date:2003-03-06
Release date:2003-05-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
J.Mol.Biol., 329, 2003
5FXL
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BU of 5fxl by Molmil
Structure of trypsin solved by MR from data collected by Direct Data Collection (DDC) using the ESRF RoboDiff goniometer
Descriptor: BENZAMIDINE, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Bowler, M.W, Nurizzo, D.
Deposit date:2016-03-02
Release date:2016-03-16
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Robodiff: Combining a Sample Changer and Goniometer for Highly Automated Macromolecular Crystallography Experiments.
Acta Crystallogr.,Sect.D, 72, 2016
4B1T
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BU of 4b1t by Molmil
Structure of the factor Xa-like trypsin variant triple-Ala (TA) in complex with eglin C
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CATIONIC TRYPSIN, ...
Authors:Menzel, A, Neumann, P, Stubbs, M.T.
Deposit date:2012-07-12
Release date:2012-08-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Thermodynamic signatures in macromolecular interactions involving conformational flexibility.
Biol.Chem., 395, 2014
1O32
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Elaborate Manifold of Short Hydrogen Bond Arrays Mediating Binding of Active Site-Directed Serine Protease Inhibitors
Descriptor: 2-{5-[AMINO(IMINIO)METHYL]-1H-BENZIMIDAZOL-2-YL}PYRIDIN-3-OLATE, BETA-TRYPSIN, CALCIUM ION
Authors:Katz, B.A, Elrod, K, Verner, E, Mackman, R.L, Luong, C, Shrader, W.D, Sendzik, M, Spencer, J.R, Sprengeler, P.A, Kolesnikov, A, Tai, V.W, Hui, H.C, Breitenbucher, J.G, Allen, D, Janc, J.W.
Deposit date:2003-03-06
Release date:2003-09-02
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:Elaborate manifold of short hydrogen bond arrays mediating binding of active site-directed serine protease inhibitors.
J.Mol.Biol., 329, 2003
3A83
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BU of 3a83 by Molmil
Crystal Structure of Trypsin complexed with pre-synthesized (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
3A81
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BU of 3a81 by Molmil
Crystal Structure of Trypsin complexed with (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide (soaking 8 hours)
Descriptor: (E)-4-((2-nicotinoylhydrazono)methyl)benzimidamide, CALCIUM ION, Cationic trypsin, ...
Authors:Yamane, J, Yao, M, Tanaka, I.
Deposit date:2009-10-05
Release date:2010-09-29
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:In-Crystal Chemical Ligation for Drug Discovery
To be Published
1F2S
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BU of 1f2s by Molmil
CRYSTAL STRUCTURE OF THE COMPLEX FORMED BETWEEN BOVINE BETA-TRYPSIN AND MCTI-A, A TRYPSIN INHIBITOR OF SQUASH FAMILY AT 1.8 A RESOLUTION
Descriptor: CALCIUM ION, TRYPSIN, TRYPSIN INHIBITOR A
Authors:Zhu, Y, Huang, Q, Qian, M, Jia, Y, Tang, Y.
Deposit date:2000-05-29
Release date:2000-06-05
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the complex formed between bovine beta-trypsin and MCTI-A, a trypsin inhibitor of squash family, at 1.8-A resolution.
J.Protein Chem., 18, 1999
1QBN
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BU of 1qbn by Molmil
Bovine Trypsin 2-[amino(imino)methyl]-2-hydroxyphenoxy]-6-[3-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]pyridine-4-carboxylic Acid (ZK-806688) Complex
Descriptor: 2-[AMINO(IMINO)METHYL]-2-HYDROXYPHENOXY]-6-[3-(4,5-DIHYDRO-1H-IMIDAZOL-2-YL)PHENOXY]PYRIDINE-4-CARBOXYLIC ACID, CALCIUM ION, PROTEIN (TRYPSIN)
Authors:Whitlow, M.
Deposit date:1999-04-25
Release date:2000-05-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1G3D
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BU of 1g3d by Molmil
BOVINE BETA-TRYPSIN BOUND TO META-AMIDINO SCHIFF BASE COPPER (II) CHELATE
Descriptor: 2-(5-CARBAMIMIDOYL-2-HYDROXY-BENZYLAMINO)-PROPIONIC ACID, BETA-TRYPSIN, CALCIUM ION, ...
Authors:Toyota, E, Ng, K.K.S, Sekizaki, H, Itoh, K, Tanizawa, K, James, M.N.G.
Deposit date:2000-10-23
Release date:2001-01-17
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:X-ray crystallographic analyses of complexes between bovine beta-trypsin and Schiff base copper(II) or iron(III) chelates.
J.Mol.Biol., 305, 2001
1QA0
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BU of 1qa0 by Molmil
BOVINE TRYPSIN 2-AMINOBENZIMIDAZOLE COMPLEX
Descriptor: 2H-BENZOIMIDAZOL-2-YLAMINE, CALCIUM ION, TRYPSIN
Authors:Whitlow, M.
Deposit date:1999-04-09
Release date:2000-04-10
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystallographic analysis of potent and selective factor Xa inhibitors complexed to bovine trypsin.
Acta Crystallogr.,Sect.D, 55, 1999
1TGS
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BU of 1tgs by Molmil
THREE-DIMENSIONAL STRUCTURE OF THE COMPLEX BETWEEN PANCREATIC SECRETORY INHIBITOR (KAZAL TYPE) AND TRYPSINOGEN AT 1.8 ANGSTROMS RESOLUTION. STRUCTURE SOLUTION, CRYSTALLOGRAPHIC REFINEMENT AND PRELIMINARY STRUCTURAL INTERPRETATION
Descriptor: CALCIUM ION, PANCREATIC SECRETORY TRYPSIN INHIBITOR (KAZAL TYPE), SULFATE ION, ...
Authors:Bolognesi, M, Gatti, G, Menegatti, E, Guarneri, M, Marquart, M, Papamokos, E, Huber, R.
Deposit date:1982-09-27
Release date:1983-01-18
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Three-dimensional structure of the complex between pancreatic secretory trypsin inhibitor (Kazal type) and trypsinogen at 1.8 A resolution. Structure solution, crystallographic refinement and preliminary structural interpretation.
J.Mol.Biol., 162, 1982
1TNH
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BU of 1tnh by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: 4-FLUOROBENZYLAMINE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
1TNJ
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BU of 1tnj by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: 2-PHENYLETHYLAMINE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994
1JRS
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BU of 1jrs by Molmil
HEMIACETAL COMPLEX BETWEEN LEUPEPTIN AND TRYPSIN
Descriptor: CALCIUM ION, Leupeptin, TRYPSIN
Authors:Kurinov, I.V, Harrison, R.W.
Deposit date:1996-02-07
Release date:1996-10-14
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Two crystal structures of the leupeptin-trypsin complex.
Protein Sci., 5, 1996
3BTM
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BU of 3btm by Molmil
THE CRYSTAL STRUCTURES OF THE COMPLEXES BETWEEN BOVINE BETA-TRYPSIN AND TEN P1 VARIANTS OF BPTI
Descriptor: CALCIUM ION, PROTEIN (PANCREATIC TRYPSIN INHIBITOR), PROTEIN (TRYPSIN), ...
Authors:Helland, R, Otlewski, J, Sundheim, O, Dadlez, M, Smalas, A.O.
Deposit date:1999-03-10
Release date:2000-03-13
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal structures of the complexes between bovine beta-trypsin and ten P1 variants of BPTI.
J.Mol.Biol., 287, 1999
1TNG
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BU of 1tng by Molmil
PREDICTION OF NOVEL SERINE PROTEASE INHIBITORS
Descriptor: AMINOMETHYLCYCLOHEXANE, CALCIUM ION, TRYPSIN
Authors:Kurinov, I, Harrison, R.W.
Deposit date:1994-07-21
Release date:1994-11-30
Last modified:2024-06-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Prediction of new serine proteinase inhibitors.
Nat.Struct.Biol., 1, 1994

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